First-principles calculation of the superconducting Tc in superhard B-C-N metals
Adam D. Smith, Yogesh K. Vohra, Cheng-Chien Chen
DOI 10.1103/k8ss-6lpq · Physical Review B
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Abstract
We perform first-principles electron-phonon calculations to evaluate the superconducting transition temperature Tc for ternary superhard metals B2C3N and B4C5N3. An ambient-pressure Tc of ∼40K and ∼20K is obtained respectively for B2C3N and B4C5N3 from the Eliashberg gap equations. The relatively high Tc of these compounds is due in part to their high Debye temperatures associated with superhardness. The materials under study are potentially synthesizable, as their formation energies are comparable to those of other recently synthesized superhard B-C-N compounds. Therefore, studying superhard metals could hold the promise of realizing new higher-Tc superconductors at ambient pressure.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| B2C3N Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure unresolved | unknown |
| B4C5N3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 20 | Pressure unresolved | unknown |
| BC5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 45 | Pressure not reported | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
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